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C30H30N2O8-uridin, 5'-o-[Bis (4-metoxifenyl) fenylmetyl]-(9ci, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 546.57 | - |
| Smältpunkt (experimentell) | 111-112 ° C | Lösningsmedel: etylacetat |
| Densitet (förutspådd) | 1,343 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 9.39 ± 0,10 | Mest sura temp: 25 ° C |
Kanoniska leenden O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O C2O
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Tum
Tum = 1S/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-2-2-
17-16-25 (33) 31-29 (32) 36/H3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36)/T24-, 26-, 27-, 28-/m1/S1
Inchi -nyckel
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4 andra namn för detta ämne
5'-o-[Bis (4-metoxifenyl) fenylmetyl] uridin (ACI); Uridin, 5'-o-[a, a-Bis (p-metoxifenyl) bensyl]-(7CI); 5'-dimetoxytrityl-uridin; 5'-O- (4,4'-dimetoxytrityl) uridin
| Egenskaper tillgängliga |
| Termisk |
Termisk
| Egendom | Värde | Skick | Källa | |
| Smältpunkt | 122-123 ° C | (1) CAS | ||
| Smältpunkt | 111-112 ° C | Lösningsmedel: | Etylacetat | (2) CAS |
| Smältpunkt | Se fulltext | (3) CAS | ||
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Journal of Colhydrate Chemistry, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45 (36), 6737-6739, CAPLUS
Spektra tillgängligt
1H NMR
13C NMR
Massa
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 904 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 904 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 900 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 861 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 602 | pH 9; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 156 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 4550 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 4550 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 4550 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 4550 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 4550 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 4540 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 4520 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4330 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 3030 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 785 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.19 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.17 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.02 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.43 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 4.192 ± 0,628 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 3,2 x 10-4 g/l | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | pH 7; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Masslöslighet | 3,3 x 10-4 g/l | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,8 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,9 x 10-3 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,2 x 10-4 g/l | Obuffrat vatten pH 6,99; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 5,8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 6.1 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8,7 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,4 x 10-6 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 5,8 x 10-7 mol/l | Obuffrat vatten pH 6,99; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 546.57 | ||
| pka | 9.39 ± 0,10 | Mest sura temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,343 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 406,9 ± 3,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 11 | (1) ACD | |
| H acceptorer | 10 | (1) ACD | |
| H givare | 3 | (1) ACD | |
| H givare/acceptor summa | 13 | (1) ACD | |
| inloggning | 4.192 ± 0,628 | Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Molekylvikt | 546.57 | ||
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 127 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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